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Substance Name: Benzenesulfonic acid, p-((5-(3-(p-(pentyloxy)phenyl)-2-thioureido)-2-ethoxy-1-phenyl)methoxy)-, sodium salt
RN: 33312-74-2
InChIKey: OZQZRMXSWBVCIF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N2-O6-S2.Na

Molecular Weight

  • 566.672
 
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Names and Synonyms

Synonym

  • 3-(p-Sulfophenoxymethyl)-4-ethoxy-4'-pentyloxythiocarbanilide sodium salt

Systematic Name

  • Benzenesulfonic acid, p-((5-(3-(p-(pentyloxy)phenyl)-2-thioureido)-2-ethoxy-1-phenyl)methoxy)-, sodium salt

Registry Numbers

CAS Registry Number

  • 33312-74-2

System Generated Number

  • 0033312742

Molecular Formulas

Molecular Formula

  • C27-H31-N2-O6-S2.Na

Molecular Formula Fragments

  • C27-H31-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H32N2O6S2.Na/c1-3-5-6-17-34-23-10-7-21(8-11-23)28-27(36)29-22-9-16-26(33-4-2)20(18-22)19-35-24-12-14-25(15-13-24)37(30,31)32;/h7-16,18H,3-6,17,19H2,1-2H3,(H2,28,29,36)(H,30,31,32);/q;+1/p-1

InChIKey

OZQZRMXSWBVCIF-UHFFFAOYSA-M

Smiles

[Na+].N(c1ccc(cc1)OCCCCC)C(=S)Nc1ccc(c(c1)COc1ccc(cc1)S(=O)(=O)[O-])OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1400mg/kg (1400mg/kg) IMMUNOLOGICAL INCLUDING ALLERGIC: INCREASED IMMUNE RESPONSE Pharmaceutical Chemistry Journal Vol. 6, Pg. 86, 1972.